N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide

C8H17NO2S — CID 79291046

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H17NO2S/c1-8(2,11)6-9(3)7(10)5-12-4/h11H,5-6H2,1-4H3
InChIKeySXLNYTGVYFDHLA-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.58
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide (PubChem CID 79291046) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide
PubChem CID79291046
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide
SMILESCSCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C8H17NO2S/c1-8(2,11)6-9(3)7(10)5-12-4/h11H,5-6H2,1-4H3
InChIKeySXLNYTGVYFDHLA-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide (CID 79291046) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide is CSCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide?
The InChIKey is SXLNYTGVYFDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,11)6-9(3)7(10)5-12-4/h11H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-methylsulfanylacetamide is sourced from PubChem (CID 79291046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).